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Home> Hot Product Listed 2   > 2-Oxazolidinone,3-[(methylthio)methyl]-(9CI)
112-37-8 structure

2-Oxazolidinone,3-[(methylthio)methyl]-(9CI)

Iupac Name:undecanoic acid
CAS No.:112-37-8
EINECS(EC#): 264-676-0; 258-380-0
Molecular Weight:186.295
Molecular Formula:C13H18 (isomer)
Names and Identifiers
Synonyms

2-oxazolidinone, 3-[(methylthio)methyl]- (9ci) 2-oxazolidinone,3-[(methylthio)methyl]- 3-[(methylsulfanyl)methyl]-1,3-oxazolidin-2-one HE232899

Inchi
InChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13)
InChkey
ZDPHROOEEOARMN-UHFFFAOYSA-N
Canonical Smiles
CCCCCCCCCCC(=O)O
Properties
Melting Point
28-31℃
Vapour
0.00151mmHg at 25°C
Refractive Index
1.418 (70 C)
Flash Point
181.5°C
HS Code
29159080
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S26;S36
Transport
无资料 
Reach Info
This substance has been officially registered by enterprises.
ECHA (EU chemicals Management Agency) published the completed registration file as follows:
Completed registration file:
Registered as ubmitted Total tonnage band  
INTERMEDIATE JOINT INTERMEDIATE_USE_ONLY view >
Registered companies:
Registrant / Supplier details Latest dossier received
PCAS 2015
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

Response

P302+P352 IF ON SKIN: Wash with plenty of water/...

P321 Specific treatment (see ... on this label).

P332+P313 If skin irritation occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:186.295g/mol
  • Molecular Formula:C13H18
  • Compound Is Canonicalized:True
  • XLogP3-AA:3.7
  • Exact Mass:186.162
  • Monoisotopic Mass:186.162
  • Complexity:121
  • Rotatable Bond Count:9
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:37.3A^2
  • Heavy Atom Count:13
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceBwMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACACAgAACCAAAAgAI AACQCAAAAAAAAAAAAAEAAAAAABIAAAAAQAAEAAAAAAGIyKCAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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